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1076198-48-5 molecular structure
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methyl 2-[(methoxycarbonyl)oxy]tetradecanoate

ChemBase ID: 173227
Molecular Formular: C17H32O5
Molecular Mass: 316.43298
Monoisotopic Mass: 316.22497412
SMILES and InChIs

SMILES:
CCCCCCCCCCCCC(C(=O)OC)OC(=O)OC
Canonical SMILES:
CCCCCCCCCCCCC(C(=O)OC)OC(=O)OC
InChI:
InChI=1S/C17H32O5/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)20-2)22-17(19)21-3/h15H,4-14H2,1-3H3
InChIKey:
DTWWGJKQJNDYGT-UHFFFAOYSA-N

Cite this record

CBID:173227 http://www.chembase.cn/molecule-173227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-[(methoxycarbonyl)oxy]tetradecanoate
IUPAC Traditional name
methyl 2-[(methoxycarbonyl)oxy]tetradecanoate
Synonyms
2-[(Methoxycarbonyl)oxy]tetradecanoic Acid Methyl Ester
Methyl α-Acetyl Myristate
CAS Number
1076198-48-5
PubChem SID
164229137
PubChem CID
45039745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M275375 external link Add to cart
PubChem 45039745 external link
Data Source Data ID Price
TRC
M275375 external link Add to cart Please log in.
Data Source Data ID
PubChem 45039745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.70269  LogD (pH = 7.4) 5.70269 
Log P 5.70269  Molar Refractivity 84.918 cm3
Polarizability 34.280354 Å3 Polar Surface Area 61.83 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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